Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL28310600 | 0.81 | MAPT (0.43) | KDM4E | |
| SCHEMBL3063023 | 0.77 | CYP11B2 (0.41) | CYP2C9FFAR4KDM4EALDH1A1CYP11B2 | |
| SCHEMBL29728911 | 0.74 | FFAR4 (0.33) | FFAR4KDM4EALDH1A1SYKCYP11B2 | |
| Benzene SCHEMBL18406222 | 0.72 | ALDH1A1 (0.32) | KDM4EALDH1A1 | |
| Ethoxycarbonyl Group SCHEMBL28035162 | 0.72 | HCAR2 (0.37) | CYP2C9CYP2C19 | |
| SCHEMBL29958270 | 0.71 | MAPT (0.34) | FFAR4KDM4EALDH1A1CYP11B2CYP11B1 | |
| Pyrazine SCHEMBL27608305 | 0.71 | KMT2A (0.31) | — | |
| Benzene SCHEMBL28147681 | 0.70 | ALDH1A1 (0.31) | KDM4EALDH1A1 | |
| Pyridine SCHEMBL27339782 | 0.70 | TSHR (0.41) | — | |
| Ethoxycarbonyl Group SCHEMBL18076005 | 0.70 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105164121-A | Perfluorinated cyclopropyl-fused 1, 3-oxazin-2-amine compounds as beta-secretase inhibitors and methods of use thereof | AMGEN INC | 2015-12-16 | — | — | CN | disclosed |